Shapes, Dynamics, and Stability of beta-Ionone and Its Two Mutants Evidenced by High-Resolution Spectroscopy in the Gas Phase

Shapes, Dynamics, and Stability of β-Ionone and Its Two Mutants Evidenced by High-Resolution Spectroscopy in the Gas Phase. J Phys Chem Lett. 2018 Apr 5;9(7):1497-1502. doi: 10.1021/acs.jpclett.8b00256.
The biological unit of retinal, β-ionone, together with two mutants (a-ionone and β-damascone) have been analysed by rotational spectroscopy technique and quantum chemical calculations. β-ionone shows the flattest conformational landscape, giving it the ability to span more easily the widest variety of torsions with respect to its mutants. This feature makes it the most suitable to be part of the retinal ligand.